4378-0017 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine

4378-0017 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine
4378-0017 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4378-0017
2-[(4-chlorobenzyl)sulfonyl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4378-0017

Molecular Formula

C16H15ClN2O2S2 (C16 H15 ClN2 O2 S2)

Compound Name

2-[(4-chlorobenzyl)sulfonyl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine

IUPAC name

2-[(4-chlorophenyl)methanesulfonyl]-46-dimethylthieno[23-b]pyridin-3-amine

SMILES

Cc1cc(C)nc(s2)c1c(N)c2S(Cc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C16H15ClN2O2S2/c1-9-7-10(2)19-15-13(9)14(18)16(22-15)23(20,21)8-11-3-5-12(17)6-4-11/h3-7H,8,18H2,1-2H3

InChI Key

WAPUIHYHMREDKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02972841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.34

Polar Surface Area

57.916

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

4378-0017 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4378-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4378-0017?
Check Price and Availability of 4378-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4378-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4378-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4378-0017
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4378-0017 available by request